MCULE-4500856251
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
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1 mg | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 93 USD | 90 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-4500856251.sdf |
SMILES | MCULE-4500856251.smiles |
Standard InChI | MCULE-4500856251.inchi |
InChIKey | MCULE-4500856251.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-6687829 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-4570049 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-236597 | Chemical Block | Screening Library | 90 | As is | 5 mg |
P-502671381 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-19012381 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23213939 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-596716238 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 428.546 |
logP | 4.6693 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 84.09 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 119.5217 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 28 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |